5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C51H45Cl3FN11O7 — CID 159733799

About 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 159733799) has the molecular formula C51H45Cl3FN11O7 and a molecular weight of 1049.35 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 159733799
• Molecular Formula: C51H45Cl3FN11O7
• Molecular Weight: 1049.35 g/mol
• Exact Mass: 1047.26
• IUPAC Name: 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CN(C)C(=O)[C@H](Cc1cccnc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.COc1ccc(C(=O)CNC(=O)c2cc3cc(Cl)ncc3[nH]2)cc1.O=C(NCC(O)c1ccc(F)cc1)c1cc2cc(Cl)ncc2[nH]1
• InChI: InChI=1S/C18H18ClN5O2.C17H14ClN3O3.C16H13ClFN3O2/c1-24(2)18(26)14(6-11-4-3-5-20-9-11)23-17(25)13-7-12-8-16(19)21-10-15(12)22-13;1-24-12-4-2-10(3-5-12)15(22)9-20-17(23)13-6-11-7-16(18)19-8-14(11)21-13;17-15-6-10-5-12(21-13(10)7-19-15)16(23)20-8-14(22)9-1-3-11(18)4-2-9/h3-5,7-10,14,22H,6H2,1-2H3,(H,23,25);2-8,21H,9H2,1H3,(H,20,23);1-7,14,21-22H,8H2,(H,20,23)/t14-;;/m0../s1
• InChIKey: NBOOIOJSTJDZJE-UTLKBRERSA-N
• XLogP: 7.70
• TPSA: 253.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1049.35
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 159733799) is 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CN(C)C(=O)[C@H](Cc1cccnc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.COc1ccc(C(=O)CNC(=O)c2cc3cc(Cl)ncc3[nH]2)cc1.O=C(NCC(O)c1ccc(F)cc1)c1cc2cc(Cl)ncc2[nH]1.

What is the InChIKey of 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is NBOOIOJSTJDZJE-UTLKBRERSA-N. The full InChI is InChI=1S/C18H18ClN5O2.C17H14ClN3O3.C16H13ClFN3O2/c1-24(2)18(26)14(6-11-4-3-5-20-9-11)23-17(25)13-7-12-8-16(19)21-10-15(12)22-13;1-24-12-4-2-10(3-5-12)15(22)9-20-17(23)13-6-11-7-16(18)19-8-14(11)21-13;17-15-6-10-5-12(21-13(10)7-19-15)16(23)20-8-14(22)9-1-3-11(18)4-2-9/h3-5,7-10,14,22H,6H2,1-2H3,(H,23,25);2-8,21H,9H2,1H3,(H,20,23);1-7,14,21-22H,8H2,(H,20,23)/t14-;;/m0../s1.

What are the key properties of 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 1049.35 g/mol, XLogP of 7.70, 14 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 159733799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).